methyl 3-[[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propylamino]methyl]benzoate hydrochloride

Systemtic Name: methyl 3-[[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propylamino]methyl]benzoate hydrochloride Openeye Name: methyl 3-[[3-(4-phenylisochroman-4-yl)propylamino]methyl]benzoate hydrochloride CAS Name: 3-[[3-(4-phenyl-3,4-dihydro-1H-2-benzopyran-4-yl)propylamino]methyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propylamino]methyl]benzoate hydrochloride Traditional Name: 3-[[3-(4-phenylisochroman-4-yl)propylamino]methyl]benzoic acid methyl ester hydrochloride Formula: C27H30ClNO3 MolecularWeight: 451.985

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CNCCCC2(COCC3=CC=CC=C32)C4=CC=CC=C4.Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CNCCCC2(COCC3=CC=CC=C32)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H29NO3.ClH/c1-30-26(29)22-11-7-9-21(17-22)18-28-16-8-15-27(24-12-3-2-4-13-24)20-31-19-23-10-5-6-14-25(23)27;/h2-7,9-14,17,28H,8,15-16,18-20H2,1H3;1H